SCHEMBL28299282

SCHEMBL28299282

Cc1cccc(CN2C=CN(C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 8/20 0.43
MAPT P10636 3/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TP53 P04637 1/20 0.43
GBA1 P04062 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31177901 1.00 POLB (0.45) POLBMEN1KMT2AHRH3TAAR1
Hydrochloric Acid SCHEMBL31177896 0.98 POLB (0.44) POLBMEN1KMT2AHRH3TAAR1
SCHEMBL28210885 0.82 CYP11B1 (0.37) KMT2AALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL28002715 0.82 SIGMAR1 (0.50) TAAR1ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL7179785 0.82 DRD2 (0.43) KMT2ATAAR1MAPTKDM4ECYP3A4
SCHEMBL27815630 0.82 CYP11B1 (0.42) CYP11B1CYP11B2CYP3A4RECQL
SCHEMBL667066 0.80 MC4R (0.46) POLBALDH1A1MAPT
SCHEMBL1011075 0.80 LPO (0.54) POLBMEN1KMT2AHRH3TAAR1
SCHEMBL31177907 0.80 LPO (0.54) POLBMEN1KMT2AHRH3TAAR1
SCHEMBL16638702 0.79 TP53 (0.44) POLBMEN1KMT2AHRH3TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN claimed
CN-109890756-B Aluminum substituted molecular sieve CIT-13 雪佛龙美国公司 2022-06-28 CN claimed
CN-109890756-A Aluminum substituted molecular sieve CIT-13 雪佛龙美国公司 2019-06-14 CN claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN disclosed
CN-109890756-B Aluminum substituted molecular sieve CIT-13 雪佛龙美国公司 2022-06-28 CN disclosed
CN-109890756-A Aluminum substituted molecular sieve CIT-13 雪佛龙美国公司 2019-06-14 CN disclosed